5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

C23H23ClN4O — CID 50899559

IUPAC5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCCCC1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H23ClN4O/c24-21-8-6-17(7-9-21)19-13-20(15-25-14-19)23(29)27-16-18-5-4-10-26-22(18)28-11-2-1-3-12-28/h4-10,13-15H,1-3,11-12,16H2,(H,27,29)
InChIKeyIVBTXSATVJWRLA-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.72
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 50899559) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID50899559
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCCCC1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H23ClN4O/c24-21-8-6-17(7-9-21)19-13-20(15-25-14-19)23(29)27-16-18-5-4-10-26-22(18)28-11-2-1-3-12-28/h4-10,13-15H,1-3,11-12,16H2,(H,27,29)
InChIKeyIVBTXSATVJWRLA-UHFFFAOYSA-N
XLogP4.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 50899559) is 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is O=C(NCc1cccnc1N1CCCCC1)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is IVBTXSATVJWRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-21-8-6-17(7-9-21)19-13-20(15-25-14-19)23(29)27-16-18-5-4-10-26-22(18)28-11-2-1-3-12-28/h4-10,13-15H,1-3,11-12,16H2,(H,27,29).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 406.92 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 50899559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).